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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189177

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1189177
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['P', 'S']
  • Chemical System: P-S
  • Density: 1.897535348380931
  • Atomic Density: 0.036129513681514944
  • Unit Cell Volume: 553.56405226768
  • Molar Volume: 16.668203212159835
  • Full Formula: P8 S12
  • Reduced Formula: P2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -102.01670986
  • Final energy per atom: -5.100835493
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.